2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-3-(4-phenoxyphenyl)quinazolin-4-one

Systemtic Name: 2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-3-(4-phenoxyphenyl)quinazolin-4-one Openeye Name: 2-[(3-methylisoxazol-5-yl)methylsulfanyl]-3-(4-phenoxyphenyl)quinazolin-4-one CAS Name: 2-[(3-methyl-5-isoxazolyl)methylthio]-3-(4-phenoxyphenyl)-4-quinazolinone IUPAC Name: 2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-3-(4-phenoxyphenyl)quinazolin-4-one Traditional Name: 2-[(3-methylisoxazol-5-yl)methylthio]-3-(4-phenoxyphenyl)quinazolin-4-one Formula: C25H19N3O3S MolecularWeight: 441.50166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CC1=NOC(=C1)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C25H19N3O3S/c1-17-15-21(31-27-17)16-32-25-26-23-10-6-5-9-22(23)24(29)28(25)18-11-13-20(14-12-18)30-19-7-3-2-4-8-19/h2-15H,16H2,1H3